Symmetric nested complexes of fullerenes

Verfasser / Beitragende:
[Naveicy Mar, Luis Sansores, Stephen Muhl, Estrella Ramos, Roberto Salcedo]
Ort, Verlag, Jahr:
2015
Enthalten in:
Journal of Molecular Modeling, 21/4(2015-04-01), 1-7
Format:
Artikel (online)
ID: 605512558
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024 7 0 |a 10.1007/s00894-015-2646-9  |2 doi 
035 |a (NATIONALLICENCE)springer-10.1007/s00894-015-2646-9 
245 0 0 |a Symmetric nested complexes of fullerenes  |h [Elektronische Daten]  |c [Naveicy Mar, Luis Sansores, Stephen Muhl, Estrella Ramos, Roberto Salcedo] 
520 3 |a Large fullerenes such as C180 and C116 can be used as hosts for other molecules of the same family. Based on this idea, two complexes were designed, one in which C180 accepts a C60 molecule as a guest and the other in which C20 was placed inside C116. The behavior of these new assemblies was closer to that of a large endohedral complex rather than onion-like. There were marked differences between the systems. In the first system, there was minor interaction between the two cages but the association resulted in a more stable thermodynamic state. In the second system, there was strong electronic interchange between the cages, and the thermodynamic results suggest that such a combination might be useful for forming stable C20. 
540 |a Springer-Verlag Berlin Heidelberg, 2015 
690 7 |a Nested fullerenes  |2 nationallicence 
690 7 |a Endohedral fullerenes  |2 nationallicence 
690 7 |a Onions  |2 nationallicence 
690 7 |a Electronic interchange  |2 nationallicence 
700 1 |a Mar  |D Naveicy  |u Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico  |4 aut 
700 1 |a Sansores  |D Luis  |u Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico  |4 aut 
700 1 |a Muhl  |D Stephen  |u Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico  |4 aut 
700 1 |a Ramos  |D Estrella  |u Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico  |4 aut 
700 1 |a Salcedo  |D Roberto  |u Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico  |4 aut 
773 0 |t Journal of Molecular Modeling  |d Springer Berlin Heidelberg  |g 21/4(2015-04-01), 1-7  |x 1610-2940  |q 21:4<1  |1 2015  |2 21  |o 894 
856 4 0 |u https://doi.org/10.1007/s00894-015-2646-9  |q text/html  |z Onlinezugriff via DOI 
898 |a BK010053  |b XK010053  |c XK010000 
900 7 |a Metadata rights reserved  |b Springer special CC-BY-NC licence  |2 nationallicence 
908 |D 1  |a research-article  |2 jats 
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950 |B NATIONALLICENCE  |P 700  |E 1-  |a Mar  |D Naveicy  |u Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico  |4 aut 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Sansores  |D Luis  |u Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico  |4 aut 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Muhl  |D Stephen  |u Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico  |4 aut 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Ramos  |D Estrella  |u Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico  |4 aut 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Salcedo  |D Roberto  |u Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico  |4 aut 
950 |B NATIONALLICENCE  |P 773  |E 0-  |t Journal of Molecular Modeling  |d Springer Berlin Heidelberg  |g 21/4(2015-04-01), 1-7  |x 1610-2940  |q 21:4<1  |1 2015  |2 21  |o 894